CAS 163702-05-4 Ethoxynonafluorobutane (HCID 206000)

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Basic information

CAS: 163702-05-4
Standard SMILES: CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: DFUYAWQUODQGFF-UHFFFAOYSA-N
Molecular formula: C4F9OCH2CH3
Average molar mass: 264.09 g/mol
Monoisotopic mass: 264.01966876

Overview

used in HPLC

Names & identifiers

Preferred name: Ethoxynonafluorobutane
IUPAC: 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
English name: Ethyl nonafluorobutyl ether
Molecular formula: C6H5F9O
Molecular weight: 264.09

Names & synonyms

1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutaneethoxynonafluorobutaneNonafluorobutyl Ethyl Ether1-(Ethoxy)nonafluorobutane631897-30-8RefChem:139035DTXCID301526632DTXSID301044402163702-05-4Ethyl Nonafluorobutyl EtherEthyl Perfluorobutyl Ether813458-04-7

Show more names

7200HFE-7200)3m Novec 7200NovecHFE7200(3M)PERFLUOROBUTYL ETHYL ETHER

Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-Ethyl Nonafluorobutyl Ether (mixture of isomers)MFCD01862062520BW6FQ5UDTXSID0073118Butane, ethoxynonafluoro-Butane,1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-UNII-520BW6FQ5U

Database identifiers

CAS: 163702-05-4、813458-04-7
PubChem CID: 206000
DTXSID: DTXSID0073118
UNII: 520BW6FQ5U
EC Number: 639-028-9、828-053-2、922-358-5
Nikkaji: J862.410K

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Ethers

PFAS · 6 items

PFAS -> Other/unspecified

PFAS -> PFAS with analytical method available

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> non-polymer

Vapor Pressure109.0 [mmHg]

Physical Description · 2 items

Liquid

Clear colorless liquid; Low odor; [OSHA]

Physicochemical properties

Melting point: -138 °C · -138 °C (lit.)
Boiling point: 76 °C · 76 °C (lit.)
Density: 1.428 g/mL · 1.428 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.282(lit.)
Flash point: 39 °F · 39 °F
λmax: 220 nm · λ: 220 nm Amax: 1.0λ: 225 nm Amax: 0.35λ: 250 nm Amax: 0.05λ: 300-400 nm Amax: 0.01

Safety & regulation

GHS classification

GHS Classification · 6 items

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 31% (53 of 171) of reports.

Danger

H225 (14.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 3 items

Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [Matrix Scientific MSDS] See Ethyl perfluoroisobutyl ether.

Hazard Classes and Categories · 4 items

Aquatic Chronic 4 (37.9%)

Flam. Liq. 2 (14.6%)

Skin Irrit. 2 (100%)

Aquatic Chronic 4

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Used for research and development; [Matrix Scientific MSDS]

• Cosmetics (mask) [Ref: GSP. 2014. Green Science Policy Database.]

non-polymer PFAS -> Semiconductor Industry -> Rinsing agents

U.S. Production2023: 550,000 - <1,000,000 lb

Industry UsesSolvent

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing Information · 2 items

Computer and Electronic Product Manufacturing

Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-: ACTIVE

Applications

UsesEthoxynonafluorobutane can be called as an eco-friendly solvent, which finds applications in chromatography since it has high lipophilic character as a result of which, it can be used as a substitute for hexane.

General DescriptionEthoxynonafluorobutane can be called as an eco-friendly solvent, which finds applications in chromatography since it has high lipophilic character as a result of which, it can be used as a substitute for hexane.